(αS)-α-Isopropylbenzeneacetic acid

Base Information

• Chemical Name: (αS)-α-Isopropylbenzeneacetic acid
• CAS No.: 13490-69-2
• Molecular Formula: C11H14O2
• Molecular Weight: 178.231
• Hs Code.: 2916399090
• Mol file: 13490-69-2.mol

Synonyms:(2S)-2-Phenyl-3-methylbutanoic acid;(2S)-3-Methyl-2-phenylbutyric acid;(S)-2-Phenyl-3-methylbutanoic acid;[S,(+)]-3-Methyl-2-phenylbutyric acid;(alphaS)-alpha-(1-Methylethyl)benzeneacetic acid;

Chemical Property of (αS)-α-Isopropylbenzeneacetic acid

Chemical Property:

• Vapor Pressure: 0.00163mmHg at 25°C
• Melting Point: 86-88℃
• Refractive Index: 1.523
• Boiling Point: 282 °C at 760 mmHg
• PKA: 4.26±0.10(Predicted)
• Flash Point: 179.2 °C
• PSA: 37.30000
• Density: 1.063g/cm³
• LogP: 2.51080
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98%,99%, ^*data from raw suppliers

(S)-3-methyl-2-phenylbutanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (αS)-α-Isopropylbenzeneacetic acid

There total 20 articles about (αS)-α-Isopropylbenzeneacetic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

(S)-3-methyl-2-phenyl-butyric acid (S)-1-phenylethylamine salt (13491-00-4) → (S)-2-phenyl-3-methylbutyric acid (13490-69-2)

Guidance literature:

With sulfuric acid; In water;

Reference yield: 97.0%

(S)-3-Methyl-2-phenyl-butyric acid 2'-hydroxy-[1,1']binaphthalenyl-2-yl ester (124931-92-6,124991-25-9,124991-34-0,124991-35-1,125136-24-5) → (S)-2-phenyl-3-methylbutyric acid (13490-69-2)

Guidance literature:

With sulfuric acid;

Reference yield: 90.0%

C20H21NO3 → (S)-2-phenyl-3-methylbutyric acid (13490-69-2) + (4R)-phenyl-2-oxazolidinone (90319-52-1,7480-32-2) + (R)-2-isopropyl-2-phenylacetic acid (13491-13-9)

Guidance literature:

C₂₀H₂₁NO₃; With lithium hydroxide monohydrate; dihydrogen peroxide; In tetrahydrofuran; water; at 20 ℃; for 12h; Inert atmosphere;

With hydrogenchloride; In water; pH=3; optical yield given as %ee; Inert atmosphere;

DOI:10.1016/j.tetasy.2011.02.021

upstream raw materials:

3-methyl-2-phenylbut-2-enoic acid

2-phenyl-3-methylbutyric acid methyl ester

(S)-1-{[Dimethyl-((E)-(R)-4-methyl-3-phenyl-pent-1-enyl)-silanyl]-methyl}-2-methoxymethyl-pyrrolidine

phenylacetic acid

Downstream raw materials:

ethyl (S)-3-methyl-2-phenylbutanoate

C₁₂H₁₃NOS₂

Refernces

• 1、 Mandrelli, Francesca,Blond, Aurélie,James, Thomas,Kim, Hyejin,List, Benjamin. "Deracemizing α-Branched Carboxylic Acids by Catalytic Asymmetric Protonation of Bis-Silyl Ketene Acetals with Water or Methanol". supporting information. p. 11479 - 11482. Retrieved 2019/07/18.
• 2、 Hsieh, Hao-Yu,Chuang, Hsiao-Ching,Shen, Fang-Hsiu,Detroja, Kinjal,Hsin, Ling-Wei,Chen, Ching-Shih. "Targeting breast cancer stem cells by novel HDAC3-selective inhibitors". supporting information. p. 42 - 51. Retrieved 2017/09/20.